(2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid

C10H17N3O3 — CID 122049666

IUPAC(2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid
SMILESCC(C)c1noc(N[C@H](C(=O)O)C(C)C)n1
InChIInChI=1S/C10H17N3O3/c1-5(2)7(9(14)15)11-10-12-8(6(3)4)13-16-10/h5-7H,1-4H3,(H,14,15)(H,11,12,13)/t7-/m0/s1
InChIKeyORYLCPXDMCUSAB-ZETCQYMHSA-N
MW227.26 g/mol
LogP1.71
Rot. Bonds5

About (2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid

(2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid (PubChem CID 122049666) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid
PubChem CID122049666
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name(2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid
SMILESCC(C)c1noc(N[C@H](C(=O)O)C(C)C)n1
InChIInChI=1S/C10H17N3O3/c1-5(2)7(9(14)15)11-10-12-8(6(3)4)13-16-10/h5-7H,1-4H3,(H,14,15)(H,11,12,13)/t7-/m0/s1
InChIKeyORYLCPXDMCUSAB-ZETCQYMHSA-N
XLogP1.71
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid with MolForge

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Related Compounds

(2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 119368745
(2S)-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-3-methylbutanoic acid
CID 122049627
2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine
CID 83828774
(2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol
CID 97085786
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
CID 130621708
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)prop-2-enoic acid
CID 131261246
(E)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)prop-2-enoic acid
CID 83764682
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 133351246
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-N-propylacetamide
CID 133383063
3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 60987942
1-(2,5-dihydropyrrol-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone
CID 166271466
3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid
CID 54959196

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid (CID 122049666) is (2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid is CC(C)c1noc(N[C@H](C(=O)O)C(C)C)n1.
What is the InChIKey of (2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid?
The InChIKey is ORYLCPXDMCUSAB-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-5(2)7(9(14)15)11-10-12-8(6(3)4)13-16-10/h5-7H,1-4H3,(H,14,15)(H,11,12,13)/t7-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid?
(2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid has a molecular weight of 227.26 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid is sourced from PubChem (CID 122049666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).